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Record W4408685250 · doi:10.1021/acs.chemmater.5c00152

High-Pressure Phase Transition of Metastable Wurtzite-Like CuInSe<sub>2</sub> Nanocrystals

2025· article· en· W4408685250 on OpenAlexfundno aff
Shinhyo Bang, Juejing Liu, Bipeng Wang, Carlos Mora Perez, Ting‐Ran Liu, Kyle D. Crans, Zhaohong Sun, Andrew Strzelecki, Oleg V. Prezhdo, Yu‐Tsun Shao, Xiaofeng Guo, Richard L. Brutchey

Bibliographic record

VenueChemistry of Materials · 2025
Typearticle
Languageen
FieldMaterials Science
TopicQuantum Dots Synthesis And Properties
Canadian institutionsnot available
FundersBasic Energy SciencesDivision of Earth SciencesDivision of Materials ResearchViterbi School of Engineering, University of Southern CaliforniaUniversity of SaskatchewanCanadian Light Source
KeywordsWurtzite crystal structureMetastabilityNanocrystalMaterials sciencePhase transitionHigh pressurePhase (matter)CrystallographyNanotechnologyCondensed matter physicsChemical physicsThermodynamicsChemistryMetallurgyPhysicsZinc

Abstract

fetched live from OpenAlex

High Resolution Image Download MS PowerPoint Slide Ternary I–III–VI 2 semiconductors, such as CuInSe 2, exhibit diverse polymorphs with unique structural characteristics and optoelectronic properties. This study investigates the pressure-induced phase transitions of metastable wurtzite-like CuInSe 2 nanocrystals. Using a combination of synchrotron X-ray diffraction, pair distribution function analysis, and density functional theory calculations, we reveal a transition from cation-ordered wurtzite-like ( Pmc 2 1 ) to cation-disordered NaCl-like ( Fm 3̅ m ) structures at 7.7 GPa. The cation-disordered NaCl-like phase persists upon decompression. Bulk modulus calculations highlight size-dependent deviations from bulk material behavior. These findings deepen our understanding of phase stability in colloidal I–III–VI 2 semiconductor nanocrystals, with implications for tailoring functional materials under extreme conditions.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

How this classification was reachedexpand

Full frame machine prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.001
Threshold uncertainty score0.003

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0010.000

Machine scores (provisional)

The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.

Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.

Opus teacher head0.011
GPT teacher head0.231
Teacher spread0.220 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designBench or experimental
Domainnot available
GenreEmpirical

How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".

Quick stats

Citations5
Published2025
Admission routes1
Has abstractyes

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